6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile

C19H24N6O — CID 69483338

IUPAC6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC2CC[C@H](NCC(=O)N3CCC[C@H]3C#N)C2)nc1
InChIInChI=1S/C19H24N6O/c20-9-15-4-6-18(24-12-15)23-11-14-3-5-16(8-14)22-13-19(26)25-7-1-2-17(25)10-21/h4,6,12,14,16-17,22H,1-3,5,7-8,11,13H2,(H,23,24)/t14?,16-,17-/m0/s1
InChIKeyMHFPGYLIKSTJTM-HGVHAKBWSA-N
MW352.44 g/mol
LogP1.64
Rot. Bonds6

About 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile

6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile (PubChem CID 69483338) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
PubChem CID69483338
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC2CC[C@H](NCC(=O)N3CCC[C@H]3C#N)C2)nc1
InChIInChI=1S/C19H24N6O/c20-9-15-4-6-18(24-12-15)23-11-14-3-5-16(8-14)22-13-19(26)25-7-1-2-17(25)10-21/h4,6,12,14,16-17,22H,1-3,5,7-8,11,13H2,(H,23,24)/t14?,16-,17-/m0/s1
InChIKeyMHFPGYLIKSTJTM-HGVHAKBWSA-N
XLogP1.64
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 152939473
(2S)-1-[2-[[(1S,3R)-3-[[(5-isocyano-2-pyridinyl)amino]methyl]cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 58885101
6-[[(1R,4S)-4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopent-2-en-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483521
6-[[4-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopenten-1-yl]methylamino]pyridine-3-carbonitrile
CID 69483161
6-[2-[[2-(2-cyanoazetidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 66895451
6-[1-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile
CID 87791280
N-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]benzamide
CID 11667534
1-[[(1S,3R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]-3-phenylurea
CID 11717646
1-[[(3R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methyl]imidazole-4,5-dicarbonitrile
CID 68830071
6-[[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]amino]pyridine-3-carbonitrile
CID 139926624
(2S)-1-[2-[[(1R,3S)-3-(1,3-dihydroisoindol-2-ylmethyl)cyclopentyl]amino]acetyl]pyrrolidine-2-carbonitrile
CID 11588381
1-[[3-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]cyclopentyl]methyl]pyrrole-2-carbonitrile
CID 18453339

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile (CID 69483338) is 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCC2CC[C@H](NCC(=O)N3CCC[C@H]3C#N)C2)nc1.
What is the InChIKey of 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is MHFPGYLIKSTJTM-HGVHAKBWSA-N. The full InChI is InChI=1S/C19H24N6O/c20-9-15-4-6-18(24-12-15)23-11-14-3-5-16(8-14)22-13-19(26)25-7-1-2-17(25)10-21/h4,6,12,14,16-17,22H,1-3,5,7-8,11,13H2,(H,23,24)/t14?,16-,17-/m0/s1.
What are the key properties of 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 69483338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).